42-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-49-benzyl-53-hydroxy-36-methylspiro[3,7,38,41-tetraoxahexadecacyclo[32.21.1.01,6.05,32.06,26.08,24.08,55.011,23.015,23.016,20.028,32.036,42.037,39.037,52.046,51.052,56]hexapentaconta-12,21,25-trien-44-yne-30,1'-cyclopentane]-4,40,54-trione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 42-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-49-benzyl-53-hydroxy-36-methylspiro[3,7,38,41-tetraoxahexadecacyclo[32.21.1.01,6.05,32.06,26.08,24.08,55.011,23.015,23.016,20.028,32.036,42.037,39.037,52.046,51.052,56]hexapentaconta-12,21,25-trien-44-yne-30,1'-cyclopentane]-4,40,54-trione
• 英文别名: 42-[2-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]furan-3-yl]-49-benzyl-53-hydroxy-36-methylspiro[3,7,38,41-tetraoxahexadecacyclo[32.21.1.01,6.05,32.06,26.08,24.08,55.011,23.015,23.016,20.028,32.036,42.037,39.037,52.046,51.052,56]hexapentaconta-12,21,25-trien-44-yne-30,1'-cyclopentane]-4,40,54-trione
• 化学式: C₈₃H₉₈N₂O₁₁
• 分子量: 1299.7
• InChiKey: PJWZBFVKVDWBNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  96
• 可旋转键数：
  8
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13